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https://github.com/triqs/dft_tools
synced 2024-10-04 23:36:05 +02:00
Fixed tests that because of the new default NORMION value
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@ -39,9 +39,9 @@ class TestParseGroups(arraytest.ArrayTestCase):
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conf_pars.parse_groups()
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conf_pars.parse_groups()
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res = conf_pars.groups
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res = conf_pars.groups
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expected = [{'index': 1, 'shells': [1, 2], 'ewindow': (-7.6, 3.0),
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expected = [{'index': 1, 'shells': [1, 2], 'ewindow': (-7.6, 3.0),
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'normalize': True, 'normion': False},
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'normalize': True, 'normion': True},
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{'index': 2, 'shells': [3], 'ewindow': (-1.6, 2.0),
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{'index': 2, 'shells': [3], 'ewindow': (-1.6, 2.0),
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'normalize': True, 'normion': False}]
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'normalize': True, 'normion': True}]
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self.assertListEqual(res, expected)
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self.assertListEqual(res, expected)
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@ -80,7 +80,7 @@ class TestParseInput(arraytest.ArrayTestCase):
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[{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 2, 'lshell': 1}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 3, 'lshell': 3}]
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[{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 2, 'lshell': 1}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 3, 'lshell': 3}]
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Groups:
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Groups:
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[{'normalize': True, 'index': 1, 'ewindow': (-7.6, 3.0), 'normion': False, 'shells': [0, 1]}, {'normalize': True, 'index': 2, 'ewindow': (-1.6, 2.0), 'normion': False, 'shells': [2]}]"""
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[{'normalize': True, 'index': 1, 'ewindow': (-7.6, 3.0), 'normion': True, 'shells': [0, 1]}, {'normalize': True, 'index': 2, 'ewindow': (-1.6, 2.0), 'normion': True, 'shells': [2]}]"""
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self.assertEqual(res, expected)
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self.assertEqual(res, expected)
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@ -102,7 +102,7 @@ Groups:
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[{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}]
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[{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}]
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Groups:
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Groups:
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[{'normalize': True, 'index': '1', 'ewindow': (-7.6, 3.0), 'shells': [0], 'normion': False}]"""
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[{'normalize': True, 'index': '1', 'ewindow': (-7.6, 3.0), 'shells': [0], 'normion': True}]"""
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self.assertEqual(res, expected)
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self.assertEqual(res, expected)
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@ -43,6 +43,7 @@ class TestProjectorGroupTwoSite(mytest.MyTestCase):
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# Scenario 1
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# Scenario 1
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def test_ortho(self):
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def test_ortho(self):
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self.proj_gr.normion = False
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self.proj_gr.orthogonalize()
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self.proj_gr.orthogonalize()
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dens_mat, overl = self.proj_sh.density_matrix(self.el_struct)
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dens_mat, overl = self.proj_sh.density_matrix(self.el_struct)
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